1-(oxolan-2-ylmethyl)-3-phenyl-7-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-dione

Systemtic Name: 1-(oxolan-2-ylmethyl)-3-phenyl-7-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-dione Openeye Name: 3-phenyl-1-(tetrahydrofuran-2-ylmethyl)-7-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-dione CAS Name: 1-(2-oxolanylmethyl)-3-phenyl-7-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-dione IUPAC Name: 1-(oxolan-2-ylmethyl)-3-phenyl-7-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-dione Traditional Name: 3-phenyl-1-(tetrahydrofurfuryl)-7-[4-(trifluoromethyl)benzyl]xanthine Formula: C24H21F3N4O3 MolecularWeight: 470.44375

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(N=CN3CC4=CC=C(C=C4)C(F)(F)F)N(C2=O)C5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(N=CN3CC4=CC=C(C=C4)C(F)(F)F)N(C2=O)C5=CC=CC=C5

InChI

InChI=1S/C24H21F3N4O3/c25-24(26,27)17-10-8-16(9-11-17)13-29-15-28-21-20(29)22(32)30(14-19-7-4-12-34-19)23(33)31(21)18-5-2-1-3-6-18/h1-3,5-6,8-11,15,19H,4,7,12-14H2